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GPCR

Name5-hydroxytryptamine receptor 1F
SpeciesHomo sapiens (Human)
GeneHTR1F
Synonym5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled
serotonin receptor 1F
5-HT-1F
5-HT1Ebeta
HTR1EL
[ Show all ]
DiseaseMigraine
Length366
Amino acid sequenceMDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIALDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSRDDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHKRQASRIAKEEVNGQVLLESGEKSTKSVSTSYVLEKSLSDPSTDFDKIHSTVRSLRSEFKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRC
UniProtP30939
Protein Data BankN/A
GPCR-HGmod modelP30939
3D structure modelThis predicted structure model is from GPCR-EXP P30939.
BioLiPN/A
Therapeutic Target DatabaseT78656
ChEMBLCHEMBL1805
IUPHAR5
DrugBankBE0000460, BE0004958

Ligand

NameCHEMBL316979
Molecular formulaC21H21FN4O
IUPAC nameN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluorobenzamide
Molecular weight364.424
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL7013847
KKMBLUZZKPJQGN-UHFFFAOYSA-N
BDBM50130460
5-(N-[4-fluorobenzoyl]amino)-3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
N-[3-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
Inchi KeyKKMBLUZZKPJQGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21FN4O/c1-2-26-11-9-14(10-12-26)17-13-23-18-7-8-19(24-20(17)18)25-21(27)15-3-5-16(22)6-4-15/h3-9,13,23H,2,10-12H2,1H3,(H,24,25,27)
PubChem CID11013959
ChEMBLCHEMBL316979
IUPHARN/A
BindingDB50130460
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki25.0 nMPMID12825944BindingDB,ChEMBL

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